SCHEMBL6279375

SCHEMBL6279375

O=S(=O)(Cc1ccc(-c2nc(-c3ccc(Cl)cc3)c(-c3ccncc3)s2)cc1)Cc1ccc(-c2nc(-c3ccc(Cl)cc3)c(-c3ccncc3)s2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.54
MAPK14 Q16539 1/20 0.47
IDO1 P14902 3/20 0.44
TDO2 P48775 3/20 0.44
PTGS1 P23219 2/20 0.43
CDC7 O00311 4/20 0.42
DBF4 Q9UBU7 4/20 0.42
CCNE1 P24864 1/20 0.42
CDK2 P24941 1/20 0.42
KDM4E B2RXH2 2/20 0.42
LMNA P02545 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PTGDR2 Q9Y5Y4 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPT P10636 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6280820 0.88 PTGS2 (0.70) PTGS2MAPK14IDO1TDO2PTGS1
SCHEMBL6282411 0.85 PTGS2 (0.57) PTGS2MAPK14IDO1TDO2CDC7
SCHEMBL6286367 0.83 PTGS2 (0.48) PTGS2MAPK14IDO1TDO2CDC7
SCHEMBL6280438 0.83 MAPK14 (0.59) PTGS2MAPK14IDO1TDO2CDC7
SCHEMBL15688673 0.82 PTGS2 (0.65) PTGS2MAPK14PTGS1CDC7DBF4
SCHEMBL6503233 0.82 PTGS2 (0.78) PTGS2MAPK14PTGS1
SCHEMBL6286370 0.82 MEN1 (0.50) PTGS2MAPK14IDO1TDO2CDC7
SCHEMBL6280814 0.82 MAPK14 (0.55) PTGS2MAPK14IDO1TDO2CDC7
SCHEMBL15690382 0.80 PTGS2 (0.50) PTGS2MAPK14IDO1TDO2PTGS1
SCHEMBL6280962 0.80 PTGS2 (0.48) PTGS2MAPK14IDO1TDO2PTGS1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1205478-A1 p38MAP KINASE INHIBITORS Takeda Chemical Industries, Ltd. (JP) 2002-05-15 EP claimed
US-6962933-B1 Method for inhibiting p38 MAP kinase or TNF-α production using a 1,3-thiazole TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-11-08 US disclosed
EP-1205478-A1 p38MAP KINASE INHIBITORS Takeda Chemical Industries, Ltd. (JP) 2002-05-15 EP disclosed